3WMS
The crystal structure of Y195I mutant alpha-cyclodextrin glycosyltransferase from Paenibacillus macerans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 102.589, 102.589, 114.371 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.641 - 2.300 |
R-factor | 0.1762 |
Rwork | 0.173 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bmw |
RMSD bond length | 0.003 |
RMSD bond angle | 0.785 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.090 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.095 | 0.502 |
Number of reflections | 30397 | |
<I/σ(I)> | 4.2 | 4.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.1 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 30% PEG 4000, 0.2M Sodium acetate trihydrate, 0.1M Tris hydrochloride, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |